1l1h

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(New page: 200px<br /><applet load="1l1h" size="450" color="white" frame="true" align="right" spinBox="true" caption="1l1h, resolution 1.75&Aring;" /> '''Crystal Structure of...)
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[[Image:1l1h.gif|left|200px]]<br /><applet load="1l1h" size="450" color="white" frame="true" align="right" spinBox="true"
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[[Image:1l1h.gif|left|200px]]<br /><applet load="1l1h" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1l1h, resolution 1.75&Aring;" />
caption="1l1h, resolution 1.75&Aring;" />
'''Crystal Structure of the Quadruplex DNA-Drug Complex'''<br />
'''Crystal Structure of the Quadruplex DNA-Drug Complex'''<br />
==Overview==
==Overview==
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Stabilisation of G-quadruplex structures formed from telomeric DNA, by, means of quadruplex-selective ligands, is a means of inhibiting the, telomerase enzyme from catalysing the synthesis of telomeric DNA repeats., In order to understand the molecular basis of ligand-quadruplex, recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel, G-quadruplex formed from the Oxytricha nova telomeric DNA sequence, d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound., The structure shows that the acridine moiety is bound at one end of the, stack of G-quartets, within one of the thymine loops. It is held in place, by a combination of stacking interactions and specific hydrogen bonds with, thymine bases. The stability of the ligand in this binding site has been, confirmed by a 2ns molecular dynamics simulation.
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Stabilisation of G-quadruplex structures formed from telomeric DNA, by means of quadruplex-selective ligands, is a means of inhibiting the telomerase enzyme from catalysing the synthesis of telomeric DNA repeats. In order to understand the molecular basis of ligand-quadruplex recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel G-quadruplex formed from the Oxytricha nova telomeric DNA sequence d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound. The structure shows that the acridine moiety is bound at one end of the stack of G-quartets, within one of the thymine loops. It is held in place by a combination of stacking interactions and specific hydrogen bonds with thymine bases. The stability of the ligand in this binding site has been confirmed by a 2ns molecular dynamics simulation.
==About this Structure==
==About this Structure==
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1L1H is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with PYN and K as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1L1H OCA].
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1L1H is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=PYN:'>PYN</scene> and <scene name='pdbligand=K:'>K</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1L1H OCA].
==Reference==
==Reference==
Structure of a G-quadruplex-ligand complex., Haider SM, Parkinson GN, Neidle S, J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12547195 12547195]
Structure of a G-quadruplex-ligand complex., Haider SM, Parkinson GN, Neidle S, J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12547195 12547195]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[Category: Haider, S.M.]]
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[[Category: Haider, S M.]]
[[Category: Neidle, S.]]
[[Category: Neidle, S.]]
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[[Category: Parkinson, G.N.]]
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[[Category: Parkinson, G N.]]
[[Category: K]]
[[Category: K]]
[[Category: PYN]]
[[Category: PYN]]
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[[Category: oxytricha]]
[[Category: oxytricha]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 02:18:29 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:40:22 2008''

Revision as of 11:40, 21 February 2008

Image:1l1h.gif

1l1h, resolution 1.75Å

Drag the structure with the mouse to rotate

Crystal Structure of the Quadruplex DNA-Drug Complex

Overview

Stabilisation of G-quadruplex structures formed from telomeric DNA, by means of quadruplex-selective ligands, is a means of inhibiting the telomerase enzyme from catalysing the synthesis of telomeric DNA repeats. In order to understand the molecular basis of ligand-quadruplex recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel G-quadruplex formed from the Oxytricha nova telomeric DNA sequence d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound. The structure shows that the acridine moiety is bound at one end of the stack of G-quartets, within one of the thymine loops. It is held in place by a combination of stacking interactions and specific hydrogen bonds with thymine bases. The stability of the ligand in this binding site has been confirmed by a 2ns molecular dynamics simulation.

About this Structure

1L1H is a Protein complex structure of sequences from [1] with and as ligands. Full crystallographic information is available from OCA.

Reference

Structure of a G-quadruplex-ligand complex., Haider SM, Parkinson GN, Neidle S, J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:12547195

Page seeded by OCA on Thu Feb 21 13:40:22 2008

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